Competing Mechanisms, Substituent Effects, and Regioselectivities of Nickel-Catalyzed [2 + 2 + 2] Cycloaddition between Carboryne and Alkynes: A DFT Study

2015 ◽  
Vol 80 (18) ◽  
pp. 9108-9117 ◽  
Author(s):  
Wei-Hua Mu ◽  
Shu-Ya Xia ◽  
Ji-Xiang Li ◽  
De-Cai Fang ◽  
Gang Wei ◽  
...  
Keyword(s):  
Substituent Effects ◽  
Dft Study

scholarly journals Substituent effects on antioxidant activity of monosubstituted indole-3-carbinols: A DFT study

2019 ◽  
Vol 57 (6) ◽  
pp. 728-734
Author(s):  
Vo Van Quan ◽  
Ho Thi Phu ◽  
Pham Thi Thu Thao ◽  
Pham Cam Nam
Keyword(s):  
Antioxidant Activity ◽  
Substituent Effects ◽  
Dft Study

Substituent Effects in Benz[a]anthracene Carbocations:  A Stable Ion, Electrophilic Substitution (Nitration, Bromination), and DFT Study†

2007 ◽  
Vol 72 (18) ◽  
pp. 6768-6775 ◽  
Author(s):  
Kenneth K. Laali ◽  
Maria A. Arrica ◽  
Takao Okazaki ◽  
Ronald G. Harvey
Keyword(s):  
Electrophilic Substitution ◽  
Substituent Effects ◽  
Dft Study

A DFT study of substituent effects in corannulene dimers

2011 ◽  
Vol 13 (47) ◽  
pp. 21139 ◽  
Author(s):  
Daniela Josa ◽  
Jesús Rodríguez Otero ◽  
Enrique M. Cabaleiro Lago
Keyword(s):  
Substituent Effects ◽  
Dft Study

Lateral substituent effects on UV stability of high-birefringence liquid crystals with the diaryl-diacetylene core: DFT/TD-DFT study

2017 ◽  
Vol 44 (10) ◽  
pp. 1515-1524 ◽  
Author(s):  
Ran Chen ◽  
Zhongwei An ◽  
Wenliang Wang ◽  
Xinbing Chen ◽  
Pei Chen
Keyword(s):  
Liquid Crystals ◽  
Substituent Effects ◽  
Dft Study ◽  
High Birefringence ◽  
Td Dft
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